3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide

C12H22N4S — CID 65169370

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC(C)C)c1nc(C)c(C)s1
InChIInChI=1S/C12H22N4S/c1-8(2)7-16(6-5-11(13)14)12-15-9(3)10(4)17-12/h8H,5-7H2,1-4H3,(H3,13,14)
InChIKeyILHFIWQTFFOHOH-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.55
Rot. Bonds6

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide

3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide (PubChem CID 65169370) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide
PubChem CID65169370
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC(C)C)c1nc(C)c(C)s1
InChIInChI=1S/C12H22N4S/c1-8(2)7-16(6-5-11(13)14)12-15-9(3)10(4)17-12/h8H,5-7H2,1-4H3,(H3,13,14)
InChIKeyILHFIWQTFFOHOH-UHFFFAOYSA-N
XLogP2.55
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide
CID 79484293
2-[2-cyanoethyl(2-methylpropyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570410
3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 62939297
3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide
CID 65272301
3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 54993087
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 65169157
N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 65169037
ethyl 2-[2-cyanoethyl(2-methylpropyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526587
3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 61377341
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 115691904
3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide
CID 65209210
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide
CID 65271838

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide (CID 65169370) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC(C)C)c1nc(C)c(C)s1.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide?
The InChIKey is ILHFIWQTFFOHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-8(2)7-16(6-5-11(13)14)12-15-9(3)10(4)17-12/h8H,5-7H2,1-4H3,(H3,13,14).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide has a molecular weight of 254.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 65169370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).